CID 19620734

1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula

C₅H₆F₃N₃

SMILES

CN1C=C(C(=N1)C(F)(F)F)N

InChI

InChI=1S/C5H6F3N3/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,9H2,1H3

InChIKey

OHASPUNAEXVWEP-UHFFFAOYSA-N

Compound name

1-methyl-3-(trifluoromethyl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 165.05138 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.05866	133.5
[M+Na]+	188.04060	141.1
[M+NH4]+	183.08520	138.4
[M+K]+	204.01454	139.1
[M-H]-	164.04410	129.2
[M+Na-2H]-	186.02605	136.4
[M]+	165.05083	132.8
[M]-	165.05193	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe